2-(4-aminoanilino)-6-fluorobenzonitrile

C13H10FN3 — CID 43580495

IUPAC2-(4-aminoanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc(N)cc1
InChIInChI=1S/C13H10FN3/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7,17H,16H2
InChIKeyHYSVLNOTLVCZFN-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.02
Rot. Bonds2

About 2-(4-aminoanilino)-6-fluorobenzonitrile

2-(4-aminoanilino)-6-fluorobenzonitrile (PubChem CID 43580495) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(4-aminoanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-aminoanilino)-6-fluorobenzonitrile
PubChem CID43580495
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(4-aminoanilino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1Nc1ccc(N)cc1
InChIInChI=1S/C13H10FN3/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7,17H,16H2
InChIKeyHYSVLNOTLVCZFN-UHFFFAOYSA-N
XLogP3.02
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
2-[4-(aminomethyl)anilino]-6-fluorobenzonitrile;bis(2,2,2-trifluoroacetic acid)
CID 87076025
2-fluoro-6-(4-propoxyanilino)benzonitrile
CID 79513492
2-[(6-aminoquinolin-2-yl)amino]-6-fluorobenzonitrile
CID 43580481
2-(2-bromo-3-chloroanilino)-6-fluorobenzonitrile
CID 103479550
2-[(6-aminopyrimidin-4-yl)amino]-6-fluorobenzonitrile
CID 80793758

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-aminoanilino)-6-fluorobenzonitrile (CID 43580495) is 2-(4-aminoanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-aminoanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-aminoanilino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1Nc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminoanilino)-6-fluorobenzonitrile?
The InChIKey is HYSVLNOTLVCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-7,17H,16H2.
What are the key properties of 2-(4-aminoanilino)-6-fluorobenzonitrile?
2-(4-aminoanilino)-6-fluorobenzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 43580495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).